N-methyl-1-[2-methyl-6-(2-methylpropyl)cyclohepta-1,4,6-trien-1-yl]methanimine

C14H21N — CID 137446280

IUPACN-methyl-1-[2-methyl-6-(2-methylpropyl)cyclohepta-1,4,6-trien-1-yl]methanimine
SMILESC/N=C/C1=C(C)CC=CC(CC(C)C)=C1
InChIInChI=1S/C14H21N/c1-11(2)8-13-7-5-6-12(3)14(9-13)10-15-4/h5,7,9-11H,6,8H2,1-4H3/b15-10+
InChIKeyLMHLZYVNJCDSNC-XNTDXEJSSA-N
MW203.33 g/mol
LogP3.94
Rot. Bonds3

About N-methyl-1-[2-methyl-6-(2-methylpropyl)cyclohepta-1,4,6-trien-1-yl]methanimine

N-methyl-1-[2-methyl-6-(2-methylpropyl)cyclohepta-1,4,6-trien-1-yl]methanimine (PubChem CID 137446280) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-6-(2-methylpropyl)cyclohepta-1,4,6-trien-1-yl]methanimine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-6-(2-methylpropyl)cyclohepta-1,4,6-trien-1-yl]methanimine
PubChem CID137446280
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-methyl-1-[2-methyl-6-(2-methylpropyl)cyclohepta-1,4,6-trien-1-yl]methanimine
SMILESC/N=C/C1=C(C)CC=CC(CC(C)C)=C1
InChIInChI=1S/C14H21N/c1-11(2)8-13-7-5-6-12(3)14(9-13)10-15-4/h5,7,9-11H,6,8H2,1-4H3/b15-10+
InChIKeyLMHLZYVNJCDSNC-XNTDXEJSSA-N
XLogP3.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-6-(2-methylpropyl)cyclohepta-1,4,6-trien-1-yl]methanimine?
The IUPAC name of N-methyl-1-[2-methyl-6-(2-methylpropyl)cyclohepta-1,4,6-trien-1-yl]methanimine (CID 137446280) is N-methyl-1-[2-methyl-6-(2-methylpropyl)cyclohepta-1,4,6-trien-1-yl]methanimine.
What is the SMILES notation for N-methyl-1-[2-methyl-6-(2-methylpropyl)cyclohepta-1,4,6-trien-1-yl]methanimine?
The canonical SMILES for N-methyl-1-[2-methyl-6-(2-methylpropyl)cyclohepta-1,4,6-trien-1-yl]methanimine is C/N=C/C1=C(C)CC=CC(CC(C)C)=C1.
What is the InChIKey of N-methyl-1-[2-methyl-6-(2-methylpropyl)cyclohepta-1,4,6-trien-1-yl]methanimine?
The InChIKey is LMHLZYVNJCDSNC-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H21N/c1-11(2)8-13-7-5-6-12(3)14(9-13)10-15-4/h5,7,9-11H,6,8H2,1-4H3/b15-10+.
What are the key properties of N-methyl-1-[2-methyl-6-(2-methylpropyl)cyclohepta-1,4,6-trien-1-yl]methanimine?
N-methyl-1-[2-methyl-6-(2-methylpropyl)cyclohepta-1,4,6-trien-1-yl]methanimine has a molecular weight of 203.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-6-(2-methylpropyl)cyclohepta-1,4,6-trien-1-yl]methanimine is sourced from PubChem (CID 137446280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).